Tetrahydrofuran → 1-(18-Chloro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-yl)-3-(2-methylpropyl)thiourea

HRID 136517

반응식

HRID 136517 반응식
[CH2:1]([CH:2]([CH3:3])[CH3:4])[N:5]=[C:6]=[S:7].[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[Cl:8][c:9]1[cH:10][c:11]2[c:12]([cH:27][cH:28]1)[O:13][c:14]1[c:15]([cH:23][cH:24][cH:25][cH:26]1)[CH:16]1[N:17]2[CH2:18][CH2:19][CH2:20][CH:21]1[NH2:22]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[NH:5][C:6](=[S:7])[NH:22][CH:21]1[CH:16]2[c:15]3[c:14]([cH:26][cH:25][cH:24][cH:23]3)[O:13][c:12]3[c:11]([cH:10][c:9]([Cl:8])[cH:28][cH:27]3)[N:17]2[CH2:18][CH2:19][CH2:20]1

참가 물질

4

반응물 3

HCID 8028TetrahydrofuranHCID 68960Isobutyl isothiocyanateHCID 6867406518-Chloro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine

생성물 1

HCID 875373741-(18-Chloro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-yl)-3-(2-methylpropyl)thiourea

출처 및 근거

ORD 기록
ord-d464563bc96c44ffb2c04ca71fbbe440
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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